Chemical Property of methyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Chemical Property:
- Boiling Point:870.9°Cat760mmHg
- PKA:8.57±0.15(Predicted)
- Flash Point:283.8°C
- PSA:207.74000
- Density:1.55g/cm3
- LogP:-0.40900
- Storage Temp.:?20°C
- XLogP3:0.5
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:14
- Rotatable Bond Count:10
- Exact Mass:616.17920569
- Heavy Atom Count:44
- Complexity:1230
- Purity/Quality:
-
98% *data from raw suppliers
Plumeride p-coumarate ≥90% (LC/MS-ELSD) *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)O
- Isomeric SMILES:CC(C1=C[C@@]2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)OC(=O)/C=C/C5=CC=C(C=C5)O